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ethyl (2E)-2-{4-methoxy-3-[(2-methylphenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID LyXeX5tMOv8
InChI InChI=1S/C32H30N2O5S/c1-5-38-31(36)28-21(3)33-32-34(29(28)23-12-7-6-8-13-23)30(35)27(40-32)18-22-15-16-26(37-4)24(17-22)19-39-25-14-10-9-11-20(25)2/h6-18,29H,5,19H2,1-4H3/b27-18+
InChIKey KMRQRUISLHKUPS-OVVQPSECSA-N
Mol Weight 554.7 g/mol
Molecular Formula C32H30N2O5S
Exact Mass 554.187543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CvsmbzSGghh
Name ethyl (2E)-2-{4-methoxy-3-[(2-methylphenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C32H30N2O5S/c1-5-38-31(36)28-21(3)33-32-34(29(28)23-12-7-6-8-13-23)30(35)27(40-32)18-22-15-16-26(37-4)24(17-22)19-39-25-14-10-9-11-20(25)2/h6-18,29H,5,19H2,1-4H3/b27-18+
InChIKey KMRQRUISLHKUPS-OVVQPSECSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5792
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8174128; UBI_ID: UBI-005794
Synonyms ethyl 2-{4-methoxy-3-[(2-methylphenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 308 °C